SCHEMBL6086013

SCHEMBL6086013

COc1ccc([N+](=O)[O-])cc1Cn1ccc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.54
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.48
KMT2A Q03164 2/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TACR1 P25103 1/20 0.48
TSHR P16473 1/20 0.47
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6085329 0.83 ALDH1A1 (0.51) SERPINE1ALDH1A1HTTTSHRTDP1
SCHEMBL4328862 0.80 SERPINE1 (0.47) SERPINE1ALDH1A1KMT2ATDP1MAPT
SCHEMBL2967511 0.79 ALDH1A1 (0.52) ALDH1A1HTTKMT2ATSHRNPSR1
SCHEMBL6085161 0.78 KMT2A (0.57) ALDH1A1HTTKMT2ATSHRTDP1
SCHEMBL6085171 0.76 HTR6 (0.60) ALDH1A1KMT2APLAUMAPTMEN1
SCHEMBL6675911 0.75 RXFP1 (0.62) ALDH1A1HTTKMT2AAPOBEC3AAPOBEC3G
SCHEMBL9479591 0.74 EPHX2 (0.59) SERPINE1ALDH1A1PLGPLAU
SCHEMBL9479656 0.74 HTR7 (0.42) SERPINE1ALDH1A1HTTTSHRPLG
SCHEMBL8973475 0.74 TDP1 (0.62) ALDH1A1HTTKMT2AAPOBEC3AAPOBEC3G
SCHEMBL8964829 0.74 TDP1 (0.62) ALDH1A1HTTKMT2AAPOBEC3AAPOBEC3G

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987122-B2 2-(1H-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2006-01-17 US disclosed
EP-1244652-B1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY CELL THERAPEUTICS EUROPE SRL (IT) 2005-08-24 EP disclosed
US-6753342-B2 ANTICARCINOGENIC AGENTS FOR LUNG AND COLON CANCER TREATMENT NOVUSPHARMA S.P.A. (IT) 2004-06-22 US disclosed
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2004-02-12 US disclosed
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung NOVUSPHARMA S.P.A. (IT) 2003-08-21 US disclosed
EP-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 WO disclosed
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung IDO2, IDO1, TXNRD2 SERPINE1 3146/4885ALDH1A1 384/4885HTT 4298/4885
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity IDO1, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SERPINE1 3827/4885ALDH1A1 58/4885HTT 3560/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.